trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate

C145H192N32Na3O43S2-3 — CID 59439880

About trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate

trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate (PubChem CID 59439880) has the molecular formula C145H192N32Na3O43S2-3 and a molecular weight of 3204.42 g/mol. Its IUPAC name is trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate.

Molecular Properties

• Compound Name: trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate
• PubChem CID: 59439880
• Molecular Formula: C145H192N32Na3O43S2-3
• Molecular Weight: 3204.42 g/mol
• Exact Mass: 3202.30
• IUPAC Name: trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate
• SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C1=N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CON3CCC[C@H]3C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](CCCCNCOCOCCOCCNC(=O)COCCOCC/N=C(\O)CCC/C(O)=N/CCC3(N(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])[C@@H]4CCCC[C@H]4N(CC(=O)[O-])C3)C(N)=O)CC(=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCOC2=N3)CCCO1.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C145H198N32O43S2.3Na/c1-84(179)129-142(212)167-105(58-86-22-4-3-5-23-86)135(205)169-111(78-221-222-79-112(170-132(202)102-34-20-50-218-143(171-102)104(40-42-116(146)181)163-136(206)106(159-85(2)180)59-87-64-152-96-28-10-6-24-92(87)96)144-172-101(33-21-51-219-144)131(201)164-108(61-89-66-154-98-30-12-8-26-94(89)98)137(207)162-103(41-43-123(188)189)133(203)168-110(75-178)139(209)165-109(138(208)173-129)62-90-67-155-99-31-13-9-27-95(90)99)140(210)166-107(60-88-65-153-97-29-11-7-25-93(88)97)134(204)160-91(63-124(190)191)76-220-177-49-19-37-115(177)141(211)158-69-120(185)156-68-119(184)157-70-121(186)161-100(130(147)200)32-16-17-45-148-82-217-83-216-57-55-214-53-48-151-122(187)77-215-56-54-213-52-47-150-118(183)39-18-38-117(182)149-46-44-145(176(73-127(196)197)74-128(198)199)80-174(71-125(192)193)113-35-14-15-36-114(113)175(81-145)72-126(194)195;;;/h3-13,22-31,64-67,84,91,100-115,129,148,152-155,178-179H,14-21,32-63,68-83H2,1-2H3,(H2,146,181)(H2,147,200)(H,149,182)(H,150,183)(H,151,187)(H,156,185)(H,157,184)(H,158,211)(H,159,180)(H,160,204)(H,161,186)(H,162,207)(H,163,206)(H,164,201)(H,165,209)(H,166,210)(H,167,212)(H,168,203)(H,169,205)(H,170,202)(H,173,208)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199);;;/q;3*+1/p-6/t84?,91-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115-,129-;;;/m0.../s1
• InChIKey: JXYYUPIZQQRSSF-ZYLQJUDFSA-H
• XLogP: -20.14
• TPSA: 1114.01 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 52
• Rotatable Bonds: 81
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3204.42
LogP ≤ 5	-20.14
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate?

The IUPAC name of trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate (CID 59439880) is trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate.

What is the SMILES notation for trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate?

The canonical SMILES for trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C1=N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CON3CCC[C@H]3C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](CCCCNCOCOCCOCCNC(=O)COCCOCC/N=C(\O)CCC/C(O)=N/CCC3(N(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])[C@@H]4CCCC[C@H]4N(CC(=O)[O-])C3)C(N)=O)CC(=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCOC2=N3)CCCO1.[Na+].[Na+].[Na+].

What is the InChIKey of trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate?

The InChIKey is JXYYUPIZQQRSSF-ZYLQJUDFSA-H. The full InChI is InChI=1S/C145H198N32O43S2.3Na/c1-84(179)129-142(212)167-105(58-86-22-4-3-5-23-86)135(205)169-111(78-221-222-79-112(170-132(202)102-34-20-50-218-143(171-102)104(40-42-116(146)181)163-136(206)106(159-85(2)180)59-87-64-152-96-28-10-6-24-92(87)96)144-172-101(33-21-51-219-144)131(201)164-108(61-89-66-154-98-30-12-8-26-94(89)98)137(207)162-103(41-43-123(188)189)133(203)168-110(75-178)139(209)165-109(138(208)173-129)62-90-67-155-99-31-13-9-27-95(90)99)140(210)166-107(60-88-65-153-97-29-11-7-25-93(88)97)134(204)160-91(63-124(190)191)76-220-177-49-19-37-115(177)141(211)158-69-120(185)156-68-119(184)157-70-121(186)161-100(130(147)200)32-16-17-45-148-82-217-83-216-57-55-214-53-48-151-122(187)77-215-56-54-213-52-47-150-118(183)39-18-38-117(182)149-46-44-145(176(73-127(196)197)74-128(198)199)80-174(71-125(192)193)113-35-14-15-36-114(113)175(81-145)72-126(194)195;;;/h3-13,22-31,64-67,84,91,100-115,129,148,152-155,178-179H,14-21,32-63,68-83H2,1-2H3,(H2,146,181)(H2,147,200)(H,149,182)(H,150,183)(H,151,187)(H,156,185)(H,157,184)(H,158,211)(H,159,180)(H,160,204)(H,161,186)(H,162,207)(H,163,206)(H,164,201)(H,165,209)(H,166,210)(H,167,212)(H,168,203)(H,169,205)(H,170,202)(H,173,208)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199);;;/q;3*+1/p-6/t84?,91-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115-,129-;;;/m0.../s1.

What are the key properties of trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate?

trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate has a molecular weight of 3204.42 g/mol, XLogP of -20.14, 81 rotatable bonds, 28 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2R)-6-[2-[2-[[2-[2-[2-[[5-[2-[(5aR,9aR)-3-[bis(carboxylatomethyl)amino]-1,5-bis(carboxylatomethyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-yl]ethylimino]-1,5-dihydroxypentylidene]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxymethoxymethylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxy-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-4,13-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoate is sourced from PubChem (CID 59439880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).